(3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol

C9H12F2N2O — CID 130697431

IUPAC(3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol
SMILESCc1cccc([C@@H](N)C(F)(F)CO)n1
InChIInChI=1S/C9H12F2N2O/c1-6-3-2-4-7(13-6)8(12)9(10,11)5-14/h2-4,8,14H,5,12H2,1H3/t8-/m1/s1
InChIKeyQFPVQFFEMGQJLV-MRVPVSSYSA-N
MW202.20 g/mol
LogP1.02
Rot. Bonds3

About (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol

(3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol (PubChem CID 130697431) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol
PubChem CID130697431
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol
SMILESCc1cccc([C@@H](N)C(F)(F)CO)n1
InChIInChI=1S/C9H12F2N2O/c1-6-3-2-4-7(13-6)8(12)9(10,11)5-14/h2-4,8,14H,5,12H2,1H3/t8-/m1/s1
InChIKeyQFPVQFFEMGQJLV-MRVPVSSYSA-N
XLogP1.02
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol (CID 130697431) is (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol is Cc1cccc([C@@H](N)C(F)(F)CO)n1.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is QFPVQFFEMGQJLV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-6-3-2-4-7(13-6)8(12)9(10,11)5-14/h2-4,8,14H,5,12H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol?
(3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 130697431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).